| SpectraBase Compound ID | Bg4h2svJyTw |
|---|---|
| InChI | InChI=1S/C16H15NO3S/c1-18-12-9-14(20-3)13(19-2)8-10(12)16-17-11-6-4-5-7-15(11)21-16/h4-9H,1-3H3 |
| InChIKey | JOYFHMJAXMRBJM-UHFFFAOYSA-N |
| Mol Weight | 301.36 g/mol |
| Molecular Formula | C16H15NO3S |
| Exact Mass | 301.077265 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9gOYpHsgc07 |
|---|---|
| Name | 2-(2,4,5-Trimethoxyphenyl)-1,3-benzothiazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.077264518 u |
| Formula | C16H15NO3S |
| InChI | InChI=1S/C16H15NO3S/c1-18-12-9-14(20-3)13(19-2)8-10(12)16-17-11-6-4-5-7-15(11)21-16/h4-9H,1-3H3 |
| InChIKey | JOYFHMJAXMRBJM-UHFFFAOYSA-N |
| SMILES | C1(C=2C(=CC(=C(C2)OC)OC)OC)=NC2=CC=CC=C2S1 |